MDPI-ZINC03843863 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 0.0160 1.4820 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.0430 0.1560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7580 -0.5180 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -0.0190 1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -0.3700 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -0.9700 0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -0.0650 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.5440 -1.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7280 -1.6440 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.1750 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.5930 -2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -1.2440 -3.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -0.0860 -1.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1410 1.0310 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -0.5140 0.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2380 -1.6740 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -0.2470 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -1.1570 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -1.5000 0.1950 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6220 -0.4330 -0.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1660 0.5480 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -0.9880 -2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6940 -1.4530 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4170 -1.5830 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -1.8200 0.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -2.8160 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 1.8480 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 1.8610 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.8260 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.1570 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5840 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 1.1000 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -0.4810 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 1.0100 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 -0.5450 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 0.8810 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -0.6970 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 -0.4340 2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 0.8420 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -1.9870 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -0.5790 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -0.1190 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -1.7530 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5210 -0.7240 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 -2.4450 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 -3.5550 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -3.1210 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -2.7430 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END